SCHEMBL4070987

SCHEMBL4070987

CC(C)(C)C(=O)Nc1c(C(O)(CC(=O)O)c2ccc(F)cc2F)ccnc1-c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 3/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ GCK P35557 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ PTGFR P43088 2/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ MC1R Q01726 1/20 0.31
▸ KCNN4 O15554 1/20 0.31
▸ CTSA P10619 1/20 0.30
▸ ANO1 Q5XXA6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2079443 0.89 FPR2 (0.32) P2RY1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4072017 0.86 ABL1 (0.36) P2RY1PTGFRNR3C1KCNN4CTSA
SCHEMBL2081557 0.83 CCNT1 (0.34) MAPTMC1RANO1LMNA
SCHEMBL13321786 0.82 CCNT1 (0.34) MAPTANO1LMNA
SCHEMBL13353994 0.80 CNR2 (0.33) MAPTGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL2079067 0.77 ABL1 (0.34) P2RY1NR3C1ABL1
SCHEMBL2081424 0.77 RIPK1 (0.36) MAPTGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL13321787 0.76 CCNT1 (0.35) MAPTANO1
SCHEMBL2080175 0.76 DGAT2 (0.39) —
SCHEMBL4078010 0.75 MAPK14 (0.40) MAPTGSK3BSYKABL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 — — EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO disclosed
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